CID 138962074

2442597-57-9

Structural Information

Molecular Formula
C12H14ClN3O3
SMILES
CC(C)(C)OC(=O)N1C2=CC(=C(N=C2C=N1)Cl)OC
InChI
InChI=1S/C12H14ClN3O3/c1-12(2,3)19-11(17)16-8-5-9(18-4)10(13)15-7(8)6-14-16/h5-6H,1-4H3
InChIKey
PQNDIMUAHOCPSB-UHFFFAOYSA-N
Compound name
tert-butyl 5-chloro-6-methoxypyrazolo[4,3-b]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

283.07236 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07964 160.8
[M+Na]+ 306.06158 174.2
[M+NH4]+ 301.10618 167.0
[M+K]+ 322.03552 171.1
[M-H]- 282.06508 159.7
[M+Na-2H]- 304.04703 165.4
[M]+ 283.07181 162.6
[M]- 283.07291 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe